CID 496507

Nsc692360

Structural Information

Molecular Formula
C24H24N2O5
SMILES
CC(=O)N1C(C(C2=CC=CC=C21)CC(=O)OC)C3=C(C4=CC=CC=C4N3)CC(=O)OC
InChI
InChI=1S/C24H24N2O5/c1-14(27)26-20-11-7-5-9-16(20)18(13-22(29)31-3)24(26)23-17(12-21(28)30-2)15-8-4-6-10-19(15)25-23/h4-11,18,24-25H,12-13H2,1-3H3
InChIKey
SKVAQSDBBWNENV-UHFFFAOYSA-N
Compound name
methyl 2-[1-acetyl-2-[3-(2-methoxy-2-oxoethyl)-1H-indol-2-yl]-2,3-dihydroindol-3-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.16852 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.17580 202.0
[M+Na]+ 443.15774 209.4
[M-H]- 419.16124 207.6
[M+NH4]+ 438.20234 214.3
[M+K]+ 459.13168 204.9
[M+H-H2O]+ 403.16578 194.1
[M+HCOO]- 465.16672 218.1
[M+CH3COO]- 479.18237 224.8
[M+Na-2H]- 441.14319 198.2
[M]+ 420.16797 207.6
[M]- 420.16907 207.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.